{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.976415 0.201466 ] [ 0 0.023585 0.798534 ] [ 0.5 0.476415 0.298534 ] [ 0.5 0.523585 0.701466 ] [ 0 0.026381 0.401147 ] [ 0 0.973619 0.598853 ] [ 0.5 0.526381 0.098853 ] [ 0.5 0.473619 0.901147 ] [ 0 0.34467 0.013397 ] [ 0 0.65533 0.986603 ] [ 0.5 0.84467 0.486603 ] [ 0.5 0.15533 0.513397 ] [ 0 0.358148 0.186892 ] [ 0 0.641852 0.813108 ] [ 0.5 0.858148 0.313108 ] [ 0.5 0.141852 0.686892 ] [ 0 0.324316 0.403647 ] [ 0 0.675684 0.596353 ] [ 0.5 0.824316 0.096353 ] [ 0.5 0.175684 0.903647 ] [ 0 0.366238 0.605279 ] [ 0 0.633762 0.394721 ] [ 0.5 0.866238 0.894721 ] [ 0.5 0.133762 0.105279 ] [ 0 0.334421 0.786521 ] [ 0 0.665579 0.213479 ] [ 0.5 0.834421 0.713479 ] [ 0.5 0.165579 0.286521 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.31085602 "source-unit" "angstrom" } "b" { "source-value" 9.01381516 "source-unit" "angstrom" } "c" { "source-value" 17.08346475 "source-unit" "angstrom" } }